SCHEMBL7562735

SCHEMBL7562735

CC(N1C(=O)C=CC1=O)N(C(C)N1C(=O)C=CC1=O)C(C)N1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 2/20 0.33
HSP90AA1 P07900 1/20 0.30
CCR6 P51684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL181550 0.82 MGLL (0.38) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL29017 0.75 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL43978 0.75 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL16573659 0.72 MGLL (0.38) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL13968985 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL13742892 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL969752 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL331187 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL22289873 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL19546122 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665853-A1 MULTIMERIC POLYVALENT ANTITHROMBOTIC AGENTS Diatide, Inc. (US) 1995-08-09 EP claimed
WO-1994007918-A1 MULTIMERIC POLYVALENT ANTITHROMBOTIC AGENTS DIATECH, INC. (US) 1994-04-14 WO claimed
US-20160263003-A1 Hair Color Smoothing Compositions and Methods LIQWD, INC. 2016-09-15 US disclosed
US-20160193129-A1 Methods for Fixing Hair and Skin LIQWD, INC. 2016-07-07 US disclosed
US-20150034119-A1 Hair Color Smoothing Compositions and Methods LIQWD, INC. (US) 2015-02-05 US disclosed
US-20150037271-A1 Methods for Fixing Hair and Skin LIQWD, INC. (US) 2015-02-05 US disclosed
US-20150037270-A1 Compositions and Kits for Hair and Skin LIQWD, INC. (US) 2015-02-05 US disclosed
US-20120171601-A1 FURAN DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR RICOH COMPANY, LTD. (JP) 2012-07-05 US disclosed
EP-0665853-B1 MULTIMERIC POLYVALENT ANTITHROMBOTIC AGENTS DIATIDE INC (US) 2002-08-14 EP disclosed
US-6136782-A LINEAR AND CYCLIC PEPTIDES THAT SPECIFICALLY BIND TO PLATELETS AND INHIBIT THEIR AGGREGATION DIATIDE, INC. (US) 2000-10-24 US disclosed
EP-0665853-A1 MULTIMERIC POLYVALENT ANTITHROMBOTIC AGENTS Diatide, Inc. (US) 1995-08-09 EP disclosed
WO-1994007918-A1 MULTIMERIC POLYVALENT ANTITHROMBOTIC AGENTS DIATECH, INC. (US) 1994-04-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160263003-A1 Hair Color Smoothing Compositions and Methods DNMT1, CAT, PTMA MGLL 3218/4885GSK3A 3155/4885GSK3B 2867/4885
US-20160193129-A1 Methods for Fixing Hair and Skin CUTA, SUCLG1, TST MGLL 3461/4885GSK3A 4641/4885GSK3B 4631/4885
US-20150037270-A1 Compositions and Kits for Hair and Skin CUTA, TST, GCLC MGLL 3563/4885GSK3A 4532/4885GSK3B 4546/4885
US-20150037271-A1 Methods for Fixing Hair and Skin CUTA, SUCLG1, TST MGLL 3461/4885GSK3A 4641/4885GSK3B 4631/4885
US-20150034119-A1 Hair Color Smoothing Compositions and Methods DNMT1, UNG, CAT MGLL 3247/4885GSK3A 3314/4885GSK3B 3066/4885
US-20120171601-A1 FURAN DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR CYP1A1, AR, CYP1B1 MGLL 4606/4885GSK3A 4728/4885GSK3B 4792/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.